Charge: -1
Inchi:1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/q-1
Electronic States
Energy
(eV)
-460.74502
Description
S1
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.05226 b
(cm-1)
0.03846 c
(cm-1)
0.02216
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.65729
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
1.09200
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.00000
Eigenvectors
#
X
Y
Z
1
0.00065
0.00000
0.00000
2
0.00159
0.00000
0.00000
3
0.00104
0.00000
0.00047
4
0.00104
0.00000
-0.00047
5
0.00097
0.00000
-0.01078
6
0.00097
0.00000
0.01077
7
-0.01764
0.00000
0.01297
8
-0.01764
0.00000
-0.01297
9
-0.04844
0.00000
-0.02686
10
-0.04843
0.00000
0.02685
11
-0.00213
0.00000
-0.00356
12
-0.00213
0.00000
0.00356
13
0.00625
0.00000
0.11125
14
0.00625
0.00000
-0.11122
15
0.19996
0.00000
-0.12345
16
0.19990
0.00000
0.12342
17
0.54399
0.00000
0.29449
18
0.54383
0.00000
-0.29440
19
0.02463
0.00000
0.03861
20
0.02463
0.00000
-0.03861